• Nuclear Engineering and Technology
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• 제55권4호
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• pp.1280-1286
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• 2023

MgF₂ as a moderator material has been extensively used in the beam shaping assembly (BSA) that plays an important role in the boron neutron capture therapy (BNCT). Regarded as important for applications, the thermal neutron scattering data of MgF₂ were calculated, based on the phonon expansion model. The structural properties of MgF₂ were researched by the VASP code based on the ab-initio methods. The PHONOPY code was employed to calculate the phonon density of states. Furthermore, the NJOY code was used to calculate the thermal neutron scattering data of MgF₂. The calculated inelastic cross sections plus absorption cross sections are in agreement with the available experimental data. The neutron transport in the BSA has been simulated by using a hybrid Monte-Carlo-Deterministic code NECP-MCX. The results indicated that compared with the calculation of the free gas model, the thermal neutron flux and epithermal neutron flux at the BSA exit port calculated by using the thermal neutron scattering data of MgF₂ were reduced by 27.7% and 8.2%, respectively.

• Bulletin of the Korean Chemical Society
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• 제34권4호
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• pp.1051-1054
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• 2013

Closo-carborane has been considered as an efficient boron-carrier for boron neutron capture therapy (BNCT) and an attractive surrogate of lipophilic phenyl or cyclohexyl ring in drug design. Despite a great number of carborane-containing ligands have been synthesized and evaluated, molecular modeling studies of carborane ligands with macromolecules have been rarely reported. We herein describe a facile docking and scoring-function strategy of 16 carborane ligands with an estrogen receptor by using the commercial Gaussian, Chem3D Pro and Discovery Studio (DS) computational programs. Docked poses of the carborane ligands in silico exhibited similar binding modes to that of the crystal ligand in the active site of estrogen receptor. Score analysis of the best docked pose for each ligand indicated that the Ligscore1 and the Dockscore have a moderate correlation with in vitro biological activity. This is the first report on the scoring-correlation studies of carborane ligands with macromolecules. The integrated Gaussian-DS approach has a potential application for virtual screening, De novo design, and optimization of carborane ligands in medicinal chemistry.

• 한국원자력학회:학술대회논문집
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• 한국원자력학회 1998년도 춘계학술발표회논문집(2)
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• pp.746-751
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• 1998

붕소 중성자 포획 요법(BNCT, Boron Neutron Capture Therapy)용 열외중성자빔의 개발을 위하여 방사성 동위원소인 Cf-252를 중성자 선원으로 사용하였으며 상대적으로 낮은 중성자속을 높이기 위하여 미임계 증배 집합체를 이용하였다. 이전에 계시된 미임계 증배 집합체는 높은 핵연료 농축도를 필요로 하는 단점이 있어 본 연구에서는 이를 감소시키기 위한 몇 가지 설계안을 제시하였다. 중성자빔 설계를 위하여 몬테칼로 방법을 이용한 전산코드인 MCNP를 이용, 타원형두뇌 팬텀 내에서 AD, AR ADDR및 각각의 선량성분 등을 계산함으로써 설계된 중성자빔의 특성분석을 수행하였다. 새롭게 개선되어 제시된 중성자빔의 설계는 상대적으로 낮은 핵연료 농측도를 보이면서 기존의 결과와 유사한 결과를 보여주고 있으며 특히 두뇌 팬텀 내에서의 선량률은 기존에 비해 매우 높은 값을 보임으로써 짧은 시간에 효과적으로 뇌종양을 치료할 수 있는 이 점이 있다.

• Journal of Radiation Protection and Research
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• 제26권2호
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• pp.93-99
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• 2001

해부학적으로 단순한 수학적인형팬텀의 한계를 극복하기 위한 voxel 머리팬텀을 제작하고 BNCT(Boron Neutron Capture Therapy) 시행 시 선량분포를 계산하였다. 일반목적 몬테칼로 코드인 MCNP4B의 반복구조 알고리즘을 이용하여 voxel 몬테칼로 계산체계를 수립하였고 두 가지 물질로 구성된 예시적 voxel 팬텀과 기하체조합팬텀의 계산값 비교를 통해 계산체계를 검증하였다. 미국 NLM(National Library of Medicine)에서 제공하는 VHP man 인체단층사진에 대한 분할 및 색인작업을 통해 voxel 머리팬텀을 제작하여 AP 및 PA 방향에서 입사하는 넓고 평행한 광자 및 중성자빔에 대한 선량값을 MIRD 팬텀의 계산값과 비교한 결과 중성자빔 AP 방향조사 시 MIRD 팬텀에서는 볼 수 없는 안구로 인한 중성자 감쇠현상을 확인할 수 있었다. 3차원 정밀계산이 필요한 BNCT 시술시 선량분포계산을 위해 뇌 중앙에 직경 5cm의 구형 뇌종양 체적을 정의하고 뇌와 종양의 붕소 함량을 조정하여 10keV 및 40keV 상부입사 중성자에 의한 장기별 흡수선량을 계산한 결과 종양에 $30{\mu}g/g$, 정상세포에 $3{\mu}g/g$의 붕소를 주입한 경우 붕소함량이 없을 때에 비해 2배 가량 큰 선량을 보였다. 본 연구를 통해 voxel몬테칼로기법을 이용한 선량평가체계를 수립하였고 정밀한 선량계산을 필요로 하는 치료방사선분야 선량계산에 실제 인체에 가까운 voxel팬텀의 응용가능성을 제시하였다.

• Journal of Radiation Protection and Research
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• 제41권4호
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• pp.328-332
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• 2016

Background: Boron Neutron Capture Therapy (BNCT) is a new radiation therapy. In BNCT, there exists some very critical problems that should be solved. One of the severest problems is that the treatment effect cannot be known during BNCT in real time. We are now developing a SPECT (single photon emission computed tomography) system (BNCT-SPECT), with a cadmium telluride (CdTe) semiconductor detector. BNCT-SPECT can obtain the BNCT treatment effect by measuring 478 keV gamma-rays emitted from the excited state of $^7Li$ nucleus created by $^{10}B(n,{\alpha})$ $^7Li$ reaction. In the previous studies, we investigated the feasibility of the BNCT-SPECT system. As a result, the S/N ratio did not meet the criterion of S/N > 1 because deterioration of the S/N ratio occurred caused by the influence of Compton scattering especially due to capture gamma-rays of hydrogen. Materials and Methods: We thus produced an arrayed detector with two CdTe crystals to test cross talk phenomenon and to examine an anti-coincidence detection possibility. For more precise analysis for the anti-coincidence detection, we designed and made a collimator having a similar performance to the real BNCT-SPECT. Results and Discussion: We carried out experiments with the collimator to examine the effect of cross talk of scattering gamma-rays between CdTe elements more practically. As a result of measurement the coincidence events were successfully extracted. Conclusion: We are now planning to carry out evaluation of coincidence rate from the measurement and comparison of it with the numerical calculations.

• 한국의학물리학회지:의학물리
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• 제27권4호
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• pp.232-235
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• 2016

The purpose of this study is to develop the treatment planning system (TPS) based on Monte-Carlo simulation for BNCT. In this paper, we will propose a method for dose estimation by Monte-Carlo simulation using the CT image, and will evaluate the accuracy of dose estimation of this TPS. The complicated geometry like a human body allows defining using the lattice function in MCNPX. The results of simulation such as flux or energy deposition averaged over a cell, can be obtained using the features of the tally provided by MCNPX. To assess the dose distribution and therapeutic effect, dose distribution was displayed on the CT image, and dose volume histogram (DVH) was employed in our developed system. The therapeutic effect can be efficiently evaluated by these evaluation tool. Our developed TPS could be effectively performed creating the voxel model from CT image, the estimation of each dose component, and evaluation of the BNCT plan.